source: src/Fragmentation/Automation@ 30438f

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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Jobs 917be8   12 years FrederikHeber MPQCCommandJob now takes command argument to the mpqc executable. - …
Operations 30438f   12 years FrederikHeber OperationQueue can be blocked to prevent further operations to be …
Pool 30438f   12 years FrederikHeber OperationQueue can be blocked to prevent further operations to be …
Results 7670865   13 years FrederikHeber Moved FragmentResult to subfolder Results. - changed includes and …
unittests 30438f   12 years FrederikHeber OperationQueue can be blocked to prevent further operations to be …
atexit.cpp 959 bytes ​ 630a6e   13 years FrederikHeber Increased Verbosity for Server and Worker.
atexit.hpp 229 bytes ​ f7f995   13 years FrederikHeber Renamed file server.cpp -> Server.cpp.
Connection.hpp 6.7 KB ​ 7dd8bc   13 years FrederikHeber Added template functions for sync_read() and sync_write() to …
controller.cpp 18.4 KB ​ af9b9ff   12 years FrederikHeber Controller now also uses boost::program_options to parse command line …
ControllerChoices.hpp 477 bytes ​ b15c4f   12 years FrederikHeber Added new RemoveAllWorkerOperation and removeall command to …
ExitflagContainer.hpp 1.2 KB ​ d57585   12 years FrederikHeber Added ExitflagContainer that FragmentController and PoolWorker use. - …
FragmentController.cpp 6.3 KB ​ d57585   12 years FrederikHeber Added ExitflagContainer that FragmentController and PoolWorker use. - …
FragmentController.hpp 2.0 KB ​ d57585   12 years FrederikHeber Added ExitflagContainer that FragmentController and PoolWorker use. - …
FragmentQueue.cpp 8.6 KB ​ d76161   12 years FrederikHeber FIX: Removed channel JobRemoved from FragmentQueue as it may cause …
FragmentQueue.hpp 2.9 KB ​ d76161   12 years FrederikHeber FIX: Removed channel JobRemoved from FragmentQueue as it may cause …
FragmentScheduler.cpp 22.0 KB ​ 7f19f8   12 years FrederikHeber Added helpful error message in ControllerListener_t::handle_ReceiveJobs().
FragmentScheduler.hpp 7.3 KB ​ bff93d   12 years FrederikHeber RemoveFromPoolOperation is now async. - changed PoolWorker such that …
GlobalJobId.cpp 633 bytes ​ d1dbfc   13 years FrederikHeber New GetNextJobIdOperation for obtaining next available JobId from …
GlobalJobId.hpp 389 bytes ​ d1dbfc   13 years FrederikHeber New GetNextJobIdOperation for obtaining next available JobId from …
JobId.cpp 864 bytes ​ b05673   13 years FrederikHeber Introduced JobId as an own class that Job and Result inherit. - …
JobId.hpp 836 bytes ​ c7deca   13 years FrederikHeber Added static NoJob (id0) to FragmentScheduler to indicate empty queue …
Listener.cpp 2.6 KB ​ 012c98   12 years FrederikHeber We now set option reuse_address to be more gentle only used ports.
Listener.hpp 1.7 KB ​ 8036b7   13 years FrederikHeber Refactored Listener out of FragmentScheduler. - this is preparatory …
Makefile.am 6.4 KB ​ d57585   12 years FrederikHeber Added ExitflagContainer that FragmentController and PoolWorker use. - …
poolworker.cpp 5.4 KB ​ e48f5c   12 years FrederikHeber Hostname argument to poolworker is now optional. - we use …
Server.cpp 4.6 KB ​ 267b8d   12 years FrederikHeber Server now also intercepts sigint and shuts down gracefully. - new …
types.hpp 333 bytes ​ 778abb   13 years FrederikHeber Added ResultGetter and capabilities to receive calculated results to …
Worker.cpp 1.4 KB ​ d920b9   13 years FrederikHeber Abstracted FragmentJob and introduced SystemCommandJob which has its …
WorkerAddress.cpp 1.7 KB ​ edbf88   13 years FrederikHeber Added WorkerAddress, serializable host+service address. - also added …
WorkerAddress.hpp 1.3 KB ​ edbf88   13 years FrederikHeber Added WorkerAddress, serializable host+service address. - also added …
WorkerChoices.hpp 403 bytes ​ a8f54b6   13 years FrederikHeber Added RemoveFromPoolOperation. - is a SyncOperation for the Worker. - …
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